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136942-11-5 | 2-Butanone, 4-hydroxy-4-(2-methylphenyl)-
CAS No: 136942-11-5 Catalog No: AG0012L3 MDL No:
Product Description
Catalog Number:
AG0012L3
Chemical Name:
2-Butanone, 4-hydroxy-4-(2-methylphenyl)-
CAS Number:
136942-11-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-hydroxy-4-(2-methylphenyl)butan-2-one
InChI:
InChI=1S/C11H14O2/c1-8-5-3-4-6-10(8)11(13)7-9(2)12/h3-6,11,13H,7H2,1-2H3
InChI Key:
MCXYRBCYSZIXJL-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1ccccc1C)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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